EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H36N2O2 |
| Net Charge | 0 |
| Average Mass | 444.619 |
| Monoisotopic Mass | 444.27768 |
| SMILES | COc1ccc(CN2CCC(N(CCc3ccccc3)Cc3ccccc3)CC2)c(OC)c1 |
| InChI | InChI=1S/C29H36N2O2/c1-32-28-14-13-26(29(21-28)33-2)23-30-18-16-27(17-19-30)31(22-25-11-7-4-8-12-25)20-15-24-9-5-3-6-10-24/h3-14,21,27H,15-20,22-23H2,1-2H3 |
| InChIKey | IOMRUVGLZCUFRT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[(2,4-dimethoxyphenyl)methyl]-N-(2-phenylethyl)-N-(phenylmethyl)-4-piperidinamine (CHEBI:104183) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15547 | LINCS |